lithium thiophene-3-sulfonate

C4H3LiO3S2 — CID 155092365

IUPAClithium thiophene-3-sulfonate
SMILESO=S(=O)([O-])c1ccsc1.[Li+]
InChIInChI=1S/C4H4O3S2.Li/c5-9(6,7)4-1-2-8-3-4;/h1-3H,(H,5,6,7);/q;+1/p-1
InChIKeyGNQXFBVORSFUTL-UHFFFAOYSA-M
MW170.14 g/mol
LogP-2.34
Rot. Bonds1

About lithium thiophene-3-sulfonate

lithium thiophene-3-sulfonate (PubChem CID 155092365) has the molecular formula C4H3LiO3S2 and a molecular weight of 170.14 g/mol. Its IUPAC name is lithium thiophene-3-sulfonate.

Molecular Properties

Compound Namelithium thiophene-3-sulfonate
PubChem CID155092365
Molecular FormulaC4H3LiO3S2
Molecular Weight170.14 g/mol
Exact Mass169.97
IUPAC Namelithium thiophene-3-sulfonate
SMILESO=S(=O)([O-])c1ccsc1.[Li+]
InChIInChI=1S/C4H4O3S2.Li/c5-9(6,7)4-1-2-8-3-4;/h1-3H,(H,5,6,7);/q;+1/p-1
InChIKeyGNQXFBVORSFUTL-UHFFFAOYSA-M
XLogP-2.34
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium thiophene-3-sulfonate?
The IUPAC name of lithium thiophene-3-sulfonate (CID 155092365) is lithium thiophene-3-sulfonate.
What is the SMILES notation for lithium thiophene-3-sulfonate?
The canonical SMILES for lithium thiophene-3-sulfonate is O=S(=O)([O-])c1ccsc1.[Li+].
What is the InChIKey of lithium thiophene-3-sulfonate?
The InChIKey is GNQXFBVORSFUTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4O3S2.Li/c5-9(6,7)4-1-2-8-3-4;/h1-3H,(H,5,6,7);/q;+1/p-1.
What are the key properties of lithium thiophene-3-sulfonate?
lithium thiophene-3-sulfonate has a molecular weight of 170.14 g/mol, XLogP of -2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium thiophene-3-sulfonate is sourced from PubChem (CID 155092365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).